Hi, sorry for the confusion.
Please check the updated docs here:
http://amber-md.github.io/pytraj/release/2.0.0/analysis.html?highlight=multidihedral#pytraj.multidihedral
dhtypes -> dihedral_types
PS: pytraj 2.0 is in AT17.
PS2: I made the change since the new work nicer (IMO):
Hai
On Thu, Jul 6, 2017 at 11:00 AM, Robert Wohlhueter <
bobwohlhueter.earthlink.net> wrote:
> I'm working my way through Amber Tutorial P0 dealing with pytraj-jupyter
> notebook (with Amber16-AmberTools17 under Ubuntu 16.04).
>
> The tutorial steps generally work; that is my "amber.jupyter ntebook"
> modules seem to be correctly installed and working.
>
> But when I get to the command "phipsi = pt.multidihedral(traj, range
> ='1-12', dhtyypes="phi psi", dtype='dataframe')', I'm issued the error
> message " TypeError: multihedral() got an unexpected keyword argument
> 'dhtypes'."
>
> Checking the pytraj on-line documentation (at
> http://amber-md.githup.io/pytraj/relwasw/1.0.6), it describes the
> attribute "dhtypes", and gives a specific example "dhtypes=('phi psi')
> ", albeit with single quotes around phi psi, unlike the tutorial, which
> uses double-quotes. Needless to say, I also tried single quotes, but to
> no avail.
>
> Can someone please set me straight?
>
> Bob Wohlhueter
>
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Received on Thu Jul 06 2017 - 09:30:03 PDT
